2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine

C12H17N3 — CID 62379078

IUPAC2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/C2CC2)c(C)c1
InChIInChI=1S/C12H17N3/c1-8-3-6-11(9(2)7-8)15-12(13)14-10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H3,13,14,15)
InChIKeyZAGHTQZEGBTPPQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.19
Rot. Bonds2

About 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine

2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine (PubChem CID 62379078) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine
PubChem CID62379078
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/C2CC2)c(C)c1
InChIInChI=1S/C12H17N3/c1-8-3-6-11(9(2)7-8)15-12(13)14-10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H3,13,14,15)
InChIKeyZAGHTQZEGBTPPQ-UHFFFAOYSA-N
XLogP2.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine
CID 82758985
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine
CID 67865852
1-(2-chlorophenyl)-2-cyclopropylguanidine
CID 62378718
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
CID 62909818
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
2-amino-2-cyclopropyl-N-(2,4-dimethylphenyl)propanamide
CID 60868406
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea
CID 4282829
4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149567
(1E)-2-[4-[[amino-[(E)-[amino-(3-methylanilino)methylidene]amino]methylidene]amino]cyclohexyl]-1-[amino-(3-methylanilino)methylidene]guanidine
CID 176680198

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine (CID 62379078) is 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine is Cc1ccc(N/C(N)=N/C2CC2)c(C)c1.
What is the InChIKey of 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine?
The InChIKey is ZAGHTQZEGBTPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-3-6-11(9(2)7-8)15-12(13)14-10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H3,13,14,15).
What are the key properties of 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine?
2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine has a molecular weight of 203.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine is sourced from PubChem (CID 62379078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).